UCSF

ZINC19933765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 7.46 -59.44 1 8 -1 115 498.606 7
Hi High (pH 8-9.5) 3.63 7.5 -114.58 0 8 -2 117 497.598 7
Mid Mid (pH 6-8) 3.63 7.49 -53.46 1 8 -1 115 498.606 7
Mid Mid (pH 6-8) 3.63 7.45 -17.64 2 8 0 113 499.614 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )